![2-(1,3-Benzothiazol-2-yl)-3-{3-chloro-5-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enenitrile structure](/static/products/6927/6927-09-9.webp)
2-(1,3-Benzothiazol-2-yl)-3-{3-chloro-5-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enenitrile
TL;DR: 2-(1,3-Benzothiazol-2-yl)-3-{3-chloro-5-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enenitrile (CAS 6927-09-9) is a chemical compound with molecular formula C29H21ClN2O2S and molecular weight 496.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-3-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enenitrile
Also Known As: 2-(1,3-Benzothiazol-2-yl)-3-{3-chloro-5-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enenitrile, 2-(1,3-benzothiazol-2-yl)-3-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enenitrile, 2-benzothiazol-2-yl-3-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enenitrile
| Molecular Formula | C29H21ClN2O2S |
|---|---|
| Molecular Weight | 496.10 g/mol |
| LogP | 8.14478 |
| Topological Polar Surface Area | 55.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.10123 |
| Heavy Atoms | 35 |
| Complexity | 1561.7323 |
Chemical Identifiers
| CAS Number | 6927-09-9 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)Cl)OCC4=CC=CC5=CC=CC=C54 |
Product Overview
2-(1,3-Benzothiazol-2-yl)-3-{3-chloro-5-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enenitrile (CAS 6927-09-9), with molecular formula C29H21ClN2O2S and molecular weight 496.10 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-3-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enenitrile.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yl)-3-{3-chloro-5-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enenitrile
Property Insights of 2-(1,3-Benzothiazol-2-yl)-3-{3-chloro-5-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enenitrile
The XLogP value of 8.14478 indicates that 2-(1,3-Benzothiazol-2-yl)-3-{3-chloro-5-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.14 Ų, 2-(1,3-Benzothiazol-2-yl)-3-{3-chloro-5-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-yl)-3-{3-chloro-5-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enenitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1,3-Benzothiazol-2-yl)-3-{3-chloro-5-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enenitrile?
The CAS number of 2-(1,3-Benzothiazol-2-yl)-3-{3-chloro-5-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enenitrile is 6927-09-9.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yl)-3-{3-chloro-5-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enenitrile?
The molecular formula of 2-(1,3-Benzothiazol-2-yl)-3-{3-chloro-5-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enenitrile is C29H21ClN2O2S.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yl)-3-{3-chloro-5-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enenitrile?
The molecular weight of 2-(1,3-Benzothiazol-2-yl)-3-{3-chloro-5-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enenitrile is 496.10 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yl)-3-{3-chloro-5-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enenitrile?
You can request a quote for 2-(1,3-Benzothiazol-2-yl)-3-{3-chloro-5-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-yl)-3-{3-chloro-5-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-yl)-3-{3-chloro-5-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.